chempirical

3-Methoxy-α-methylbenzenemethanamine

C9H13NOCAS 62409-13-6151.21 g/mol

Open in Covalent MOL file
ONH2
EtherPrimary amine

Properties

Molecular formula
C9H13NO
Molar mass
151.21 g/mol
Exact mass
151.0997 Da
logP
1.71Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
62409-13-6
SMILES
COc1cccc(C(C)N)c1
InChIKey
CJWGCBRQAHCVHW-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7H,10H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Benzenemethanamine, 3-methoxy-α-methyl-
  • (±)-m-Methoxy-α-methylbenzylamine
  • (±)-α-(m-Methoxyphenyl)ethylamine
  • m-Methoxy-α-phenylethylamine
  • m-Methoxy-α-phenethylamine
  • 1-(3-Methoxyphenyl)ethylamine
  • (±)-m-Methoxy-α-phenylethylamine
  • 1-(m-Methoxyphenyl)ethylamine
  • m-Methoxy-α-methylbenzylamine
  • 1-(3-Methoxyphenyl)ethanamine
  • 1-(3-Methoxyphenyl)ethan-1-amine
  • Benzenemethanamine, 3-methoxy-α-methyl-, (±)-

Work with 3-Methoxy-α-methylbenzenemethanamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(αS)-3-Methoxy-α-methylbenzenemethanamine82796-69-8100 % similar (R)-1-(3-Methoxyphenyl)ethylamine88196-70-7100 % similar (αS)-4-Methoxy-α-methylbenzenemethanamine41851-59-661 % similar 1-(4-Methoxyphenyl)ethylamine6298-96-061 % similar 1,3-Dimethoxybenzene151-10-054 % similar (+)-Phenylethylamine3886-69-950 % similar 1-Phenylethylamine618-36-050 % similar 1-Phenylethylamine98-84-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzylethanolamine104-63-2 3-Ethylamino-P-cresol120-37-6 γ-Aminobenzenepropanol14593-04-5 Phenylalaninol16088-07-6 3-Methoxyphenethylamine2039-67-0 2-Methoxyphenethylamine2045-79-6 (+)-1-(4-Methoxyphenyl)ethylamine22038-86-4 3-(Dimethylamino)benzenemethanol23501-93-1

Elsewhere

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